SCHEMBL8328208

SCHEMBL8328208

CC1[C@@H](C)CC(C#N)N1C(=O)C(NC(=O)OC(C)(C)C)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
CYP3A4 P08684 2/20 0.46
FAP Q12884 1/20 0.33
PREP P48147 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14532904 1.00 DPP4 (0.46) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL12968316 0.89 DPP4 (0.48) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL29752493 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL3508104 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL8123723 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL8271030 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL11960035 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP3A4FAP
SCHEMBL8271705 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL15847121 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4
SCHEMBL8127608 0.88 DPP4 (0.62) DPP4DPP8DPP9CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2505578-A2 Methods and Compounds for Producing Dipeptidyl Peptidase IV Inhibitors and Intermediates thereof Bristol-Myers Squibb Company (US) 2012-10-03 EP disclosed
WO-2004052850-A2 METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed